methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: 2-[[4-(bromomethyl)phenyl]sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)CBr

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)CBr

InChI

InChI=1S/C13H18BrNO4S/c1-9(2)12(13(16)19-3)15-20(17,18)11-6-4-10(8-14)5-7-11/h4-7,9,12,15H,8H2,1-3H3